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SMILES: Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O

InChI Key: InChIKey=XBEIAPUKOLJNSE-KTKRTIGZSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50201003   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidine kinase 2, mitochondrial


(Homo sapiens (Human))
BDBM50201003
PNG
(CHEMBL219908 | N-methyl-4-[1,1-(diphenyl)-1-(Z)-[4...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O3/c1-22-21-31(27(33)29-26(22)32)17-9-10-20-34-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-15-18-30(2)19-16-25/h3-16,18-19,21H,17,20H2,1-2H3/p+1/b10-9-
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PC cid
PC sid
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Article
PubMed
n/an/a 1.14E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by TK2


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Deoxynucleoside kinase


(Drosophila melanogaster)
BDBM50201003
PNG
(CHEMBL219908 | N-methyl-4-[1,1-(diphenyl)-1-(Z)-[4...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O3/c1-22-21-31(27(33)29-26(22)32)17-9-10-20-34-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-15-18-30(2)19-16-25/h3-16,18-19,21H,17,20H2,1-2H3/p+1/b10-9-
PDB
MMDB

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Article
PubMed
n/an/a 1.44E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by Drosophila melanogaster dNK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50201003
PNG
(CHEMBL219908 | N-methyl-4-[1,1-(diphenyl)-1-(Z)-[4...)
Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2cc[n+](C)cc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C28H27N3O3/c1-22-21-31(27(33)29-26(22)32)17-9-10-20-34-28(23-11-5-3-6-12-23,24-13-7-4-8-14-24)25-15-18-30(2)19-16-25/h3-16,18-19,21H,17,20H2,1-2H3/p+1/b10-9-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Instituto de Química Médica (C.S.I.C.)

Curated by ChEMBL


Assay Description
Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK


J Med Chem 49: 7766-73 (2006)


Article DOI: 10.1021/jm0610550
BindingDB Entry DOI: 10.7270/Q2K073XW
More data for this
Ligand-Target Pair